Improving the performance of the MM/PBSA and MM/GBSA methods in recognizing the native structure of the Bcl-2 family using the interaction entropy method
2020 ◽
Vol 22
(7)
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pp. 4240-4251
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Correct discrimination of native structure plays an important role in drug design. IE method significantly improves the performance of MM/PB(GB)SA method in discriminating native and decoy structures in protein–ligand/protein systems of Bcl-2 family.
1983 ◽
Vol 41
◽
pp. 432-433
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2020 ◽
Keyword(s):
2019 ◽